1,1-bis(4-methoxyphenyl)-1-phenylpropane-2-sulfinate

C23H23O4S- — CID 71236405

IUPAC1,1-bis(4-methoxyphenyl)-1-phenylpropane-2-sulfinate
SMILESCOc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(C)S(=O)[O-])cc1
InChIInChI=1S/C23H24O4S/c1-17(28(24)25)23(18-7-5-4-6-8-18,19-9-13-21(26-2)14-10-19)20-11-15-22(27-3)16-12-20/h4-17H,1-3H3,(H,24,25)/p-1
InChIKeyXMTCICNTPXSQML-UHFFFAOYSA-M
MW395.50 g/mol
LogP4.31
Rot. Bonds7

About 1,1-bis(4-methoxyphenyl)-1-phenylpropane-2-sulfinate

1,1-bis(4-methoxyphenyl)-1-phenylpropane-2-sulfinate (PubChem CID 71236405) has the molecular formula C23H23O4S- and a molecular weight of 395.50 g/mol. Its IUPAC name is 1,1-bis(4-methoxyphenyl)-1-phenylpropane-2-sulfinate.

Molecular Properties

Compound Name1,1-bis(4-methoxyphenyl)-1-phenylpropane-2-sulfinate
PubChem CID71236405
Molecular FormulaC23H23O4S-
Molecular Weight395.50 g/mol
Exact Mass395.13
IUPAC Name1,1-bis(4-methoxyphenyl)-1-phenylpropane-2-sulfinate
SMILESCOc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(C)S(=O)[O-])cc1
InChIInChI=1S/C23H24O4S/c1-17(28(24)25)23(18-7-5-4-6-8-18,19-9-13-21(26-2)14-10-19)20-11-15-22(27-3)16-12-20/h4-17H,1-3H3,(H,24,25)/p-1
InChIKeyXMTCICNTPXSQML-UHFFFAOYSA-M
XLogP4.31
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1,1-bis(4-methoxyphenyl)-1-phenylpropane-2-sulfinic acid
CID 71236406
methane;1-methoxy-4-[1-(4-methoxyphenyl)-2-methyl-1-phenylpropyl]benzene
CID 158331426
disodium;anisole;sulfite
CID 158776652
1-methoxy-4-[2-methyl-1-[4-(2-methyl-1,1,1-triphenylpropan-2-yl)phenyl]-1-phenylpropyl]benzene
CID 155021469
[bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane
CID 174814552
(4-methoxyphenyl)-diphenylmethanamine
CID 21477757
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
1-methoxy-4-[nitroso(diphenyl)methyl]benzene
CID 88893098
N-[bis(4-methoxyphenyl)-phenylmethyl]methanimine
CID 163625272
(2R)-2-(4-methoxyphenyl)-3-methyl-2-phenylbutanenitrile
CID 134956914
(1S)-1-(4-methoxyphenyl)-1-phenylethanamine
CID 93047943
2-[(S)-(4-methoxyphenyl)sulfinyl]-1,1-diphenylethanol
CID 11864321

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-methoxyphenyl)-1-phenylpropane-2-sulfinate?
The IUPAC name of 1,1-bis(4-methoxyphenyl)-1-phenylpropane-2-sulfinate (CID 71236405) is 1,1-bis(4-methoxyphenyl)-1-phenylpropane-2-sulfinate.
What is the SMILES notation for 1,1-bis(4-methoxyphenyl)-1-phenylpropane-2-sulfinate?
The canonical SMILES for 1,1-bis(4-methoxyphenyl)-1-phenylpropane-2-sulfinate is COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(C)S(=O)[O-])cc1.
What is the InChIKey of 1,1-bis(4-methoxyphenyl)-1-phenylpropane-2-sulfinate?
The InChIKey is XMTCICNTPXSQML-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H24O4S/c1-17(28(24)25)23(18-7-5-4-6-8-18,19-9-13-21(26-2)14-10-19)20-11-15-22(27-3)16-12-20/h4-17H,1-3H3,(H,24,25)/p-1.
What are the key properties of 1,1-bis(4-methoxyphenyl)-1-phenylpropane-2-sulfinate?
1,1-bis(4-methoxyphenyl)-1-phenylpropane-2-sulfinate has a molecular weight of 395.50 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-methoxyphenyl)-1-phenylpropane-2-sulfinate is sourced from PubChem (CID 71236405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).